4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H18ClN7 — CID 62863669

IUPAC4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H18ClN7/c1-19-7-3-5-10(9-19)20(2)12-16-11(14)17-13(18-12)21-8-4-6-15-21/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyXXWSUPJOLWQHCA-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.24
Rot. Bonds3

About 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863669) has the molecular formula C13H18ClN7 and a molecular weight of 307.79 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62863669
Molecular FormulaC13H18ClN7
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCN1CCCC(N(C)c2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H18ClN7/c1-19-7-3-5-10(9-19)20(2)12-16-11(14)17-13(18-12)21-8-4-6-15-21/h4,6,8,10H,3,5,7,9H2,1-2H3
InChIKeyXXWSUPJOLWQHCA-UHFFFAOYSA-N
XLogP1.24
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62863669) is 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CN1CCCC(N(C)c2nc(Cl)nc(-n3cccn3)n2)C1.
What is the InChIKey of 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is XXWSUPJOLWQHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN7/c1-19-7-3-5-10(9-19)20(2)12-16-11(14)17-13(18-12)21-8-4-6-15-21/h4,6,8,10H,3,5,7,9H2,1-2H3.
What are the key properties of 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 307.79 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).